SCHEMBL8551353

SCHEMBL8551353

O=C(O)OC1CCN(CC2CN(C3CCN(c4ccncn4)CC3)C(=O)O2)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 3/20 0.42
GPR119 Q8TDV5 1/20 0.38
ADRB3 P13945 1/20 0.37
RIPK1 Q13546 1/20 0.35
CYP2D6 P10635 1/20 0.35
DPP4 P27487 1/20 0.35
KCNH2 Q12809 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
CCR8 P51685 2/20 0.34
HRH3 Q9Y5N1 4/20 0.33
CHRM1 P11229 1/20 0.33
LSS P48449 1/20 0.33
SORD Q00796 1/20 0.33
PARP1 P09874 1/20 0.33
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8352321 0.88 HTR2B (0.44) HTR2BGPR119ADRB3RIPK1CYP2D6
SCHEMBL8552786 0.87 HTR2B (0.45) HTR2BADRB3KCNH2CCR8HRH3
SCHEMBL8593632 0.87 HTR2B (0.45) HTR2BADRB3KCNH2CCR8HRH3
SCHEMBL8350852 0.83 F10 (0.42) HTR2BGPR119
SCHEMBL8551028 0.83 HTR2B (0.41) HTR2BADRB3PARP1
SCHEMBL8550242 0.82 HTR2B (0.38) HTR2BADRB3CCR8HRH3PARP1
SCHEMBL8552884 0.82 HTR2B (0.43) HTR2BCCR8HRH3
SCHEMBL8549444 0.81 OGA (0.45) HTR2BCCR8HRH3
SCHEMBL8550693 0.81 HTR2B (0.43) HTR2BADRB3CCR8HRH3
SCHEMBL7344376 0.79 GPR119 (0.37) GPR119RIPK1CYP2D6DPP4KCNH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0839147-A1 NEW OXAZOLIDINONE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS THAT CONTAIN THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1998-05-06 EP claimed
WO-1997003072-A1 NEW OXAZOLIDINONE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS THAT CONTAIN THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1997-01-30 WO claimed